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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:10:25 UTC
Update Date2025-03-25 00:57:32 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02225341
Frequency0.5
Structure
Chemical FormulaC12H16O7S
Molecular Mass304.0617
SMILESCC(C(=O)OS(=O)(=O)O)c1ccc(C(O)C(C)O)cc1
InChI KeyBDMGVJLODVDVLG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslipids and lipid-like molecules
Classprenol lipids
Subclass monoterpenoids
Direct Parent aromatic monoterpenoids
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • 1,2-diols
  • aromatic alcohols
  • carbonyl compounds
  • hydrocarbon derivatives
  • monocarboxylic acids and derivatives
  • monocyclic monoterpenoids
  • organic oxides
  • phenylpropanes
  • secondary alcohols
  • sulfuric acid monoesters
    • Substituents
  • aromatic alcohol
  • alcohol
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • carbonyl group
  • monocyclic monoterpenoid
  • organic sulfuric acid or derivatives
  • p-cymene
  • carboxylic acid derivative
  • phenylpropane
  • aromatic homomonocyclic compound
  • organic oxide
  • monocarboxylic acid or derivatives
  • organic oxygen compound
  • secondary alcohol
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound
  • aromatic monoterpenoid
  • 1,2-diol